Rb4Cr4I12O
Alexandria ALEXAlex-ID: agm021069260 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4D12_8_spg87
CrI3 Cr2O3 RbI Cr
2025-03-14 09:19:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021069260).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm021069260
data_agm021069260
_cell_length_a 10.86624
_cell_length_b 10.86624
_cell_length_c 10.86624
_cell_angle_alpha 98.22431
_cell_angle_beta 98.22431
_cell_angle_gamma 135.55331
_cell_volume 831.69867
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Rb1 Rb 0.41063 0.18284 0.59347 1.00000
Rb2 Rb 0.58937 0.81716 0.40653 1.00000
Rb3 Rb 0.18284 0.58937 0.77221 1.00000
Rb4 Rb 0.81716 0.41063 0.22779 1.00000
Cr1 Cr 0.96851 0.85472 0.82323 1.00000
Cr2 Cr 0.03149 0.14528 0.17677 1.00000
Cr3 Cr 0.85472 0.03149 0.88621 1.00000
Cr4 Cr 0.14528 0.96851 0.11379 1.00000
I1 I 0.33998 0.93156 0.27153 1.00000
I2 I 0.66002 0.06844 0.72847 1.00000
I3 I 0.93156 0.66002 0.59158 1.00000
I4 I 0.06844 0.33998 0.40842 1.00000
I5 I 0.58667 0.64873 0.71530 1.00000
I6 I 0.93342 0.87137 0.28470 1.00000
I7 I 0.64873 0.93342 0.06205 1.00000
I8 I 0.87137 0.58667 0.93795 1.00000
I9 I 0.41333 0.35127 0.28470 1.00000
I10 I 0.06658 0.12863 0.71530 1.00000
I11 I 0.35127 0.06658 0.93795 1.00000
I12 I 0.12863 0.41333 0.06205 1.00000
O1 O 0.00000 0.00000 0.00000 1.00000
